3-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(3,4-dimethoxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-3-methyl-4-veratrylidene-2-pyrazolin-1-yl]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)OC)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18N2O5/c1-12-16(9-13-7-8-17(26-2)18(10-13)27-3)19(23)22(21-12)15-6-4-5-14(11-15)20(24)25/h4-11H,1-3H3,(H,24,25)/b16-9+